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branch: rosetta:commits 「№20677」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「ae22936ff」  code diff
Scheduled at: 2025-03-25 17:17:17.665573
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←ae22936ff6d0afecda4b8326532066e636d0975c Updated Ligand Motifs Code ---------------- Merge commit message: reverting header changes because we break the header test without including the handful of .hh files we do have, since they are needed for the member objects as the object currently exists

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branch: rosetta:commits 「№20676」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「5d5ff9b9e」  code diff
Scheduled at: 2025-03-25 16:59:18.730504
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←5d5ff9b9ef8266ca28ca89a993a82f32c67f809f Updated Ligand Motifs Code ---------------- Merge commit message: moving modification ot working and original pose rts only if we actually change the rts (and not always overwrite with itself if we call the add ligand to pose rts function

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branch: rosetta:commits 「№20675」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「1c81d545a」  code diff
Scheduled at: 2025-03-25 16:49:11.338659
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←1c81d545af6ed2838958ff7d204956ee5658b329 Updated Ligand Motifs Code ---------------- Merge commit message: try to pull the ligand from the poseRTS instead of pull out the default rts from the postRTS and then check

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branch: rosetta:commits 「№20674」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「339ac97bd」  code diff
Scheduled at: 2025-03-25 16:39:31.215970
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←339ac97bd7cdae399bcce08cc2ad1e0324e3d76a Updated Ligand Motifs Code ---------------- Merge commit message: fixing bad logic, implementing better logic to remove back casting

Rosetta Benchmark 3 months
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branch: rosetta:commits 「№20673」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「352325e20」  code diff
Scheduled at: 2025-03-25 16:28:55.105457
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←352325e2000ba0629079b2e49860b016ee72c8e8 Updated Ligand Motifs Code ---------------- Merge commit message: adjusting constraint set addition to make better use of pointers

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branch: rosetta:commits 「№20672」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「f0ba36914」  code diff
Scheduled at: 2025-03-25 16:18:59.646500
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←f0ba3691406eb4520b4b90442f8965d93a4887b7 Updated Ligand Motifs Code ---------------- Merge commit message: types is hh only

Rosetta Benchmark 3 months
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branch: rosetta:commits 「№20671」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「f8fc5d64d」  code diff
Scheduled at: 2025-03-25 16:09:05.474193
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←f8fc5d64ddc69307b030e916c7dcd31b06b7ccb9 Updated Ligand Motifs Code ---------------- Merge commit message: fixing .hh to .fwd.hh includes in these hh files

Rosetta Benchmark 3 months
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branch: rosetta:commits 「№20670」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「cd4be60dd」  code diff
Scheduled at: 2025-03-25 15:31:32.263774
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←cd4be60ddca8702d67f8c22b64b0caf520b8a5ab Updated Ligand Motifs Code ---------------- Merge commit message: removing extra code that was accidentally left in and broke the function

Rosetta Benchmark 3 months
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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branch: rosetta:commits 「№20669」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「114264ce9」  code diff
Scheduled at: 2025-03-25 14:53:18.701427
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←114264ce9de58511c3a68cfd70df5c1532be9ed2 Updated Ligand Motifs Code ---------------- Merge commit message: improving safety of creating copy of working_pose so that metadata is properly preserved. Now dereferencing working_pose_copy when called in process_for_motifs

Rosetta Benchmark 3 months
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branch: rosetta:commits 「№20668」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「7ff170db0」  code diff
Scheduled at: 2025-03-25 14:31:19.473754
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←7ff170db059b0ec642ec65933626395bfc321c4e Updated Ligand Motifs Code ---------------- Merge commit message: fixing logic to avoid unecessary copy of cur_trip

Rosetta Benchmark 3 months
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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branch: rosetta:commits 「№20667」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「62c0cc9f8」  code diff
Scheduled at: 2025-03-25 14:21:51.178760
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←62c0cc9f837df6d19eae600266eacc1b67ef4e1a Updated Ligand Motifs Code ---------------- Merge commit message: improving namespace clarity for tracers and improving logic for use of motifCOPs objects in remove_duplicate_motifs# Please enter the commit message for your changes. Lines starting

Rosetta Benchmark 3 months
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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branch: rosetta:commits 「№20666」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「993f0a8d9」  code diff
Scheduled at: 2025-03-25 13:59:46.451361
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←993f0a8d9eba8ebd66cb81440923b3dc39744371 Updated Ligand Motifs Code ---------------- Merge commit message: cleaning up old handling of discovery_position vector to now directly assign vector from options and eliminate confusion

Rosetta Benchmark 3 months
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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branch: rosetta:commits 「№20665」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「3fc71303d」  code diff
Scheduled at: 2025-03-25 12:53:55.365981
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python310.PyRosetta.unit mac.clang.python38.PyRosetta.unit mac.clang.python39.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification ubuntu.clang.code_quality.cppcheck ubuntu.gcc.code_quality.cppcheck code_quality.merge_size serialization linux.clang.code_quality.submodule_regression linux.gcc.code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score linux.clang.python312.scripts.pyrosetta ubuntu.clang.python312.scripts.pyrosetta linux.clang.scripts.rosetta.parse ubuntu.clang.scripts.rosetta.parse linux.clang.scripts.rosetta.validate ubuntu.clang.scripts.rosetta.validate linux.clang.scripts.rosetta.verify ubuntu.clang.scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←3fc71303dbb0c9700046077ad743c707e828c2de Updated Ligand Motifs Code ---------------- Merge commit message: Merge in modern branch 'main' into updated_ligand_discovery_search_code_ag_may_2024 for code updating

Rosetta Benchmark 3 months
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branch: rosetta:commits 「№20664」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№372」
Merge: 「74f819c4d」← 「9a5d9c2fc」  code diff
Scheduled at: 2025-03-24 19:31:51.841151
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score ubuntu-20.04.clang.python312.scripts.pyrosetta ubuntu.clang.python312.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №372 RosettaCommons/rosetta/main ← roccomoretti/rosetta/no_backrub_xml_dump Merge: 74f819c4dd58142810833fb8e63211f2974ee342←9a5d9c2fc30d3c9c7cb38bbdbca1d057d82fe1d7 Add option to control intermediate dumping in BackrubProtocol ---------------- Merge commit message: Add option to control intermediate dumping in BackrubProtocol Especially with XML (where the Backrub protocol is part of a more extensive protocol), you don't necessarily want an unconditional dumping of the last & low results from the Backrub stage. This commit adds an XML option which will allow the dumping of the poses (old behavior), but turns it off by default. This only changes XML usage -- I didn't change how the backrub application behaves. Changes to the backrub_interface_ddG integration test is expected.

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Test: linux.gcc.mpi.serialization.integration.mpi

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branch: rosetta:commits 「№20663」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№370」
Merge: 「05ba3ce14」← 「bf4f95a8b」  code diff
Scheduled at: 2025-03-23 15:07:55.315952
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit m1.clang.python38.PyRosetta.unit m1.clang.python39.PyRosetta.unit mac.clang.python310.PyRosetta.unit mac.clang.python38.PyRosetta.unit mac.clang.python39.PyRosetta.unit ubuntu-20.04.clang.python39.PyRosetta.unit ubuntu-22.04.clang.python39.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit ubuntu.clang.python310.PyRosetta.unit ubuntu.gcc.python312.PyRosetta.unit ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit

Pull Request №370 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/lyskov-patch-1 Merge: 05ba3ce142c657ded53097d3c9b34f4dc5a62433←bf4f95a8beb708564c49cc20b3e60381009de0f1 change numpy.alltrue to alltrue.all to improve compatibility with Numpy-2.0 ---------------- Merge commit message: change numpy.alltrue to alltrue.all to improve compatibility with Numpy-2+

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branch: rosetta:commits 「№20662」
Commited by: Paul Eisenhuth
GitHub Pull Request link: 「№303」
Merge: 「05ba3ce14」← 「c70335829」  code diff
Scheduled at: 2025-03-21 04:59:01.435982
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python310.PyRosetta.unit mac.clang.python38.PyRosetta.unit mac.clang.python39.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification ubuntu.clang.code_quality.cppcheck ubuntu.gcc.code_quality.cppcheck code_quality.merge_size serialization linux.clang.code_quality.submodule_regression linux.gcc.code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score linux.clang.python312.scripts.pyrosetta ubuntu.clang.python312.scripts.pyrosetta linux.clang.scripts.rosetta.parse ubuntu.clang.scripts.rosetta.parse linux.clang.scripts.rosetta.validate ubuntu.clang.scripts.rosetta.validate linux.clang.scripts.rosetta.verify ubuntu.clang.scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №303 RosettaCommons/rosetta/main ← Hackefleisch/rosetta/revold Merge: 05ba3ce142c657ded53097d3c9b34f4dc5a62433←c70335829bd858dc7caa6c6101f3aeffbb5e3111 Rosetta Evolutionary Ligand (REvoLd) ---------------- Merge commit message: Merge branch 'RosettaCommons:main' into revold

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Test: ubuntu.gcc.code_quality.merge_size

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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
replica_docking revold
Test: linux.clang.integration.release_debug_no_symbols

Failed sub-tests (click for more details):
cyclization revold
Test: mac.clang.python39.integration

Failed sub-tests (click for more details):
mp_f19_relax revold
Test: linux.clang.python312.scripts.pyrosetta

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